Compound Summary
SR 59230A oxalate
Compound Information
SR 59230A oxalate
Compound Name: | SR 59230A oxalate |
Compound CID: | 11957700 |
Synonyms: | SR 59230A oxalate EU-0101131 CHEMBL1324022 HMS3263D03 Tox21_501131 More... |
Iupac Name: | (2S)-1-(2-ethylphenoxy)-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-2-ol;oxalic acid |
InChI: | InChI=1S/C21H27NO2.C2H2O4/c1-2-16-7-5-6-10-21(16)24-15-20(23)14-22-19-12-11-17-8-3-4-9-18(17)13-19;3-1(4)2(5)6/h3-10,19-20,22-23H,2,11-15H2,1H3;(H,3,4)(H,5,6)/t19-,20-;/m0./s1 |
InChIKey: | HTEVEFDMFBMFEI-FKLPMGAJSA-N |
Canonical Smiles: | CCC1=CC=CC=C1OCC(CNC2CCC3=CC=CC=C3C2)O.C(=O)(C(=O)O)O |
Isomeric Smiles: | CCC1=CC=CC=C1OC[C@H](CN[C@H]2CCC3=CC=CC=C3C2)O.C(=O)(C(=O)O)O |
Molecular Weight: | 415.5 |
Molecular Formula: | C23H29NO6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
SR 59230A oxalate
Molecular Weight: | 415.5 |
Molecular Formula: | C23H29NO6 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 30 |
Complexity: | 433 |
Synonyms
SR 59230A oxalate
| SR 59230A oxalate | SR 59230A oxalate |
|---|---|
SR 59230A oxalate |
EU-0101131 |
CHEMBL1324022 |
HMS3263D03 |
Tox21_501131 |
CCG-222435 |
LP01131 |
NCGC00094398-01 |
NCGC00261816-01 |
S 8688 |
SR-01000076140 |
SR-01000076140-1 |
Experimental Data
SR 59230A oxalate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -3.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
SR 59230A oxalate
Statistics Data
SR 59230A oxalate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -3.000000000000000 | 1 | 1 |
Statistics Data Visualization
SR 59230A oxalate
